./iterations/neb0_image03_iter21_OSZICAR.out output for 40: 572-->565: F2 + F3Si-NF-SiF3, to SiF4 + F3Si-NF2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.806276747543E+03 0.80628E+03 -0.25736E+04 896 0.101E+03
DAV: 2 0.108440112301E+03 -0.69784E+03 -0.68087E+03 1163 0.280E+02
DAV: 3 -0.588445421435E+02 -0.16728E+03 -0.16674E+03 832 0.153E+02
DAV: 4 -0.641894249095E+02 -0.53449E+01 -0.53219E+01 880 0.296E+01
DAV: 5 -0.642531744909E+02 -0.63750E-01 -0.63656E-01 849 0.333E+00 0.202E+01
DAV: 6 -0.589160328208E+02 0.53371E+01 -0.18106E+01 816 0.254E+01 0.107E+01
DAV: 7 -0.586698628752E+02 0.24617E+00 -0.18657E+00 848 0.776E+00 0.424E+00
DAV: 8 -0.587382717169E+02 -0.68409E-01 -0.21155E+00 928 0.643E+00 0.277E+00
DAV: 9 -0.586493597936E+02 0.88912E-01 -0.16784E-01 856 0.261E+00 0.123E+00
DAV: 10 -0.586313694013E+02 0.17990E-01 -0.29325E-01 808 0.277E+00 0.106E+00
DAV: 11 -0.586418932643E+02 -0.10524E-01 -0.20980E-01 857 0.134E+00 0.531E-01
DAV: 12 -0.586370662347E+02 0.48270E-02 -0.11261E-02 836 0.464E-01 0.737E-01
DAV: 13 -0.586304453995E+02 0.66208E-02 -0.32047E-02 803 0.649E-01 0.232E-01
DAV: 14 -0.586338988549E+02 -0.34535E-02 -0.97077E-04 778 0.196E-01 0.206E-01
DAV: 15 -0.586358919941E+02 -0.19931E-02 -0.77760E-04 834 0.178E-01 0.192E-01
DAV: 16 -0.586366068108E+02 -0.71482E-03 -0.12033E-03 878 0.104E-01 0.482E-02
DAV: 17 -0.586379735996E+02 -0.13668E-02 -0.13334E-03 858 0.103E-01 0.203E-01
DAV: 18 -0.586380322291E+02 -0.58630E-04 -0.26607E-03 928 0.126E-01 0.129E-01
DAV: 19 -0.586383038853E+02 -0.27166E-03 -0.13349E-04 765 0.422E-02 0.671E-02
DAV: 20 -0.586384674647E+02 -0.16358E-03 -0.17801E-04 829 0.483E-02 0.195E-02
DAV: 21 -0.586385814469E+02 -0.11398E-03 -0.83217E-06 588 0.158E-02 0.927E-03
DAV: 22 -0.586386201651E+02 -0.38718E-04 -0.27574E-06 475 0.675E-03 0.118E-02
DAV: 23 -0.586386453381E+02 -0.25173E-04 -0.15705E-05 559 0.132E-02 0.132E-02
DAV: 24 -0.586386540434E+02 -0.87054E-05 -0.41761E-06 446 0.627E-03
1 F= -.58638654E+02 E0= -.58650911E+02 d E =0.367706E-01